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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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TitleLocalization of heteroatoms Fe and Nb in the layered structure of ferroelectric La4 Ti4 O14.
AuthorsTitov, Yu.O.;Sych, A.M.;Markiv, V.Ya.;Belyavina, N.M.;Kapshuk, A.O.
ReferenceIC&volume=2002&fpage=162&details=yes target=icsd_help>Dopov. Nats. Akad. Nauk. Ukr. (2002) 2002, 162-166
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CompoundFe0.5 La4 Nb0.5 O14 Ti3 - Lanthanum titanium niobium iron(III) oxide (4/3/0.5/0.5/14) [A2B2X7] [oP88] [a22] []
Cell25.772(5), 7.834(2), 5.545(1), 90, 90, 90
PNA21 (33) V=1119.52
RemarksR=0.045400 : X

Atom (site) Oxid. x, y, z, B, Occupancy
La1(4a)3
La2(4a)3
La3(4a)3
La4(4a)3
Ti1(4a)4
Nb1(4a)5
Ti2(4a)4
Fe1(4a)3
Ti3(4a)4
Fe2(4a)3
Ti4(4a)4
Nb2(4a)5
O1(4a)-2
O2(4a)-2
O3(4a)-2
O4(4a)-2
O5(4a)-2
O6(4a)-2
O7(4a)-2
O8(4a)-2
O9(4a)-2
O10(4a)-2
O11(4a)-2
O12(4a)-2
O13(4a)-2
O14(4a)-2
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0.450.380.760.791
0.080.100.750.790.75
0.080.100.750.790.25
0.180.110.240.790.75
0.180.110.240.790.25
0.310.110.740.790.75
0.310.110.740.790.25
0.410.100.260.790.75
0.410.100.260.790.25
0.020.110.550.791
0.060.120.080.791
0.080.360.820.791
0.160.090.560.791
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0.250.110.50.791
0.250.120.0.791
0.300.360.750.791
0.350.090.460.791
0.330.090.070.791
0.410.360.330.791
0.440.120.580.791
0.470.110.050.791

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